⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL779762 | 0.87 | LPAR2 (0.30) | — | |
| SCHEMBL4997139 | 0.79 | — | — | |
| SCHEMBL2358289 | 0.79 | LPAR2 (0.31) | — | |
| SCHEMBL7588815 | 0.79 | PPARD (0.32) | — | |
| SCHEMBL9816918 | 0.78 | — | — | |
| SCHEMBL7258930 | 0.78 | — | — | |
| SCHEMBL11310348 | 0.78 | TSHR (0.44) | — | |
| SCHEMBL5490579 | 0.78 | — | — | |
| SCHEMBL7071126 | 0.75 | — | — | |
| SCHEMBL8763978 | 0.75 | LPAR2 (0.33) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1992015544-A1 | METHOD OF MAKING 2,7-DIMETHYL-2,4,6-OCTATRIENEDIAL AND DERIVATIVES THEREOF | LOYOLA UNIVERSITY OF CHICAGO (US) | 1992-09-17 | — | — | WO | claimed |
| US-5107030-A | Method of making 2,7-dimethyl-2,4,6-octatrienedial and derivatives thereof | LOYOLA UNIVERSITY OF CHICAGO (US) | 1992-04-21 | — | — | US | claimed |
| WO-1992015544-A1 | METHOD OF MAKING 2,7-DIMETHYL-2,4,6-OCTATRIENEDIAL AND DERIVATIVES THEREOF | LOYOLA UNIVERSITY OF CHICAGO (US) | 1992-09-17 | — | — | WO | disclosed |
| US-5107030-A | Method of making 2,7-dimethyl-2,4,6-octatrienedial and derivatives thereof | LOYOLA UNIVERSITY OF CHICAGO (US) | 1992-04-21 | — | — | US | disclosed |